UCSF

ZINC43710200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.61 7.73 -55.04 2 4 1 46 289.399 5
Hi High (pH 8-9.5) 1.61 6.37 -10.26 1 4 0 42 288.391 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )